3-[[15-[10-(Carbamoylamino)dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
| Internal ID | 7441288d-f7dd-4c96-bb79-e64fb33c1ad1 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 3-[[15-[10-(carbamoylamino)dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H90N2O18/c1-32-16-12-13-20-49(67)73-51(35(4)17-11-9-7-8-10-14-23-56-53(55)70)36(5)19-15-18-33(2)43(60)26-39(58)24-38(57)25-40(72-50(68)30-48(65)66)27-41-28-46(63)52(69)54(71,74-41)31-47(64)34(3)21-22-42(59)37(6)45(62)29-44(32)61/h7-8,12-13,15-16,18-20,32,34-47,51-52,57-64,69,71H,9-11,14,17,21-31H2,1-6H3,(H,65,66)(H3,55,56,70) |
| InChI Key | LLKMUSZUPKLZDW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C54H90N2O18 |
| Molecular Weight | 1055.30 g/mol |
| Exact Mass | 1054.61886403 g/mol |
| Topological Polar Surface Area (TPSA) | 357.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 3-[[15-[10-(Carbamoylamino)dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/967d7ce0-8414-11ee-aa7c-c751f23c30c9.jpg "2D Structure of 3-[[15-[10-(Carbamoylamino)dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.59% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.85% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.27% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.18% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.99% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.17% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.69% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.03% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.25% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.28% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.23% | 91.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.58% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.39% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.33% | 89.63% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.33% | 94.33% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 88.27% | 97.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.19% | 94.73% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.68% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.70% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.59% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.56% | 93.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.54% | 85.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.93% | 96.90% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.40% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.22% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.20% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.35% | 95.89% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.65% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.51% | 95.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.81% | 92.32% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.59% | 94.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.31% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 460138 |
| LOTUS | LTS0196899 |
| wikiData | Q104171057 |